General Information of the Compound
| Compound ID |
CP0502088
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| Compound Name |
5-(4-(2-(4-(1-allyl-3-(4-(methylsulfonyl)phenyl)ureido)piperidin-1-yl)ethyl)-4-(3-fluorophenyl)piperidine-1-carbonyl)-N-tert-butyl-4-chloro-2-fluorobenzenesulfonamide
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| Structure |
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| Formula |
C40H50ClF2N5O6S2
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| Molecular Weight |
834.452
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| Canonical SMILES |
CC(C)(C)NS(=O)(=O)c1cc(C(=O)N2CCC(CCN3CCC(CC3)N(CC=C)C(=O)Nc3ccc(cc3)S(C)(=O)=O)(CC2)c2cccc(F)c2)c(Cl)cc1F
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| InChI |
InChI=1S/C40H50ClF2N5O6S2/c1-6-19-48(38(50)44-30-10-12-32(13-11-30)55(5,51)52)31-14-20-46(21-15-31)22-16-40(28-8-7-9-29(42)25-28)17-23-47(24-18-40)37(49)33-26-36(35(43)27-34(33)41)56(53,54)45-39(2,3)4/h6-13,25-27,31,45H,1,14-24H2,2-5H3,(H,44,50)
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| InChIKey |
ZGONSZXAEKVYEX-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound